General Information of the Compound
Compound ID
CP0550762
Compound Name
4-quinolin-2-ylphenol
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Structure
Formula
C15H11NO
Molecular Weight
221.259
Canonical SMILES
Oc1ccc(cc1)-c1ccc2ccccc2n1
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InChI
InChI=1S/C15H11NO/c17-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)16-15/h1-10,17H
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InChIKey
RDTFTOZMNQBVBZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.6074
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
33.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 4531195
ChEMBL ID
CHEMBL3323469
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 = 9840 nM
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